SCHEMBL7548302

SCHEMBL7548302

CCN(CC)CCN(CCN(CC)CC)c1ccc(-c2nc3cccnc3[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.40
AURKA O14965 2/20 0.40
HDAC6 Q9UBN7 1/20 0.37
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
KDM4E B2RXH2 5/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
GUSB P08236 2/20 0.36
HPSE Q9Y251 1/20 0.36
NSD2 O96028 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GSK3B P49841 1/20 0.35
TSHR P16473 1/20 0.35
SYK P43405 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHEK1 O14757 1/20 0.34
MAP4K4 O95819 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7550508 0.88 CCR2 (0.45) ACHEKDM4EALDH1A1SMN1; SMN2
SCHEMBL7550838 0.88 ACHE (0.45) ACHEAURKAKDM4ENPC1RAB9A
SCHEMBL7553087 0.87 AURKA (0.44) ACHEAURKAHDAC6KDM4ENPC1
SCHEMBL8406555 0.84 AURKA (0.42) ACHEAURKAKDM4ENPC1RAB9A
SCHEMBL7155898 0.82 ACHE (0.39) ACHEAURKAHDAC6ATP4AATP4B
SCHEMBL7549579 0.81 NPC1 (0.53) ACHEHDAC6ATP4AATP4BKDM4E
SCHEMBL7155380 0.81 AURKA (0.64) AURKAHPSE
SCHEMBL7553017 0.80 KDM4E (0.41) KDM4ENPC1NSD2ALDH1A1TSHR
SCHEMBL7546617 0.78 AURKA (0.64) ACHEAURKAKDM4ENPC1RAB9A
SCHEMBL7549677 0.78 AURKA (0.51) ACHEAURKAHDAC6ATP4AATP4B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists WARNER-LAMBERT COMPANY (US) 2002-07-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists CCR1, CCR2, CCR8 ACHE 4652/4885AURKA 4675/4885HDAC6 737/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.